SCHEMBL5573035

SCHEMBL5573035

CCCCCCCCCC(NC(=S)S)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 8/20 0.55
▸ SLC6A5 Q9Y345 1/20 0.48
▸ GPR84 Q9NQS5 3/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ ZDHHC20 Q5W0Z9 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.46
▸ FOLH1 Q04609 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28688352 0.84 FPR2 (0.43) NOD1MAPTFOLH1
SCHEMBL28676083 0.84 FPR2 (0.43) NOD1MAPTFOLH1
SCHEMBL10822237 0.82 NOD1 (0.62) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL10600983 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL21801849 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL10603409 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL4609045 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL10599977 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL10603414 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT
SCHEMBL10599643 0.80 NOD1 (0.60) NOD1SLC6A5GPR84FFAR1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 — — WO disclosed
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